SCHEMBL10181042

SCHEMBL10181042

CC1(C)C[C@@H](CNc2nc(-c3cc(N)ncc3Cl)ccc2F)CCO1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.54
CDK9 P50750 6/20 0.49
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCNK O75909 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1946292 1.00 CCNT1 (0.54) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL1464622 0.92 CCNT1 (0.55) CCNT1CDK9KDM4EALDH1A1GAA
SCHEMBL1463086 0.87 CCNT1 (0.66) CCNT1CDK9CCNK
SCHEMBL1463721 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1947398 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1462699 0.83 CCNT1 (0.55) CCNT1CDK9
SCHEMBL1463089 0.82 CCNT1 (0.46) CCNT1CDK9
SCHEMBL10179312 0.82 CCNT1 (0.46) CCNT1CDK9
SCHEMBL12466061 0.80 CDK9 (0.59) CCNT1CDK9CCNK
SCHEMBL12467610 0.80 CDK9 (0.59) CCNT1CDK9CCNK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP claimed